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Yorodumi- PDB-1vs2: Interactions of quinoxaline antibiotic and DNA: the molecular str... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1vs2 | ||||||
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Title | Interactions of quinoxaline antibiotic and DNA: the molecular structure of a TRIOSTIN A-D(GCGTACGC) complex | ||||||
Components |
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Keywords | DNA/ANTIBIOTIC / BISINTERCALATOR / DESIPEPTIDE / QUINOXALINE / ANTIBIOTIC / ANTITUMOR / DNA-ANTIBIOTIC COMPLEX | ||||||
Function / homology | TRIOSTIN A / 2-CARBOXYQUINOXALINE / : / DNA Function and homology information | ||||||
Biological species | STREPTOMYCINEAE (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2 Å | ||||||
Authors | Wang, A.H.-J. / Ughetto, G. / Quigley, G.J. / Rich, A. | ||||||
Citation | Journal: J.Biomol.Struct.Dyn. / Year: 1986 Title: Interactions of Quinoxaline Antibiotic and DNA: The Molecular Structure of a Triostin A-D(Gcgtacgc) Complex. Authors: Wang, A.H. / Ughetto, G. / Quigley, G.J. / Rich, A. #1: Journal: Science / Year: 1986 Title: Non-Watson-Crick G-C and A-T Base Pairs in a DNA-Antibiotic Complex Authors: Quigley, G.J. / Ughetto, G. / Van Der Marel, G.A. / Van Boom, J.H. / Wang, A.H.-J. / Rich, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1vs2.cif.gz | 18.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1vs2.ent.gz | 10.5 KB | Display | PDB format |
PDBx/mmJSON format | 1vs2.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/vs/1vs2 ftp://data.pdbj.org/pub/pdb/validation_reports/vs/1vs2 | HTTPS FTP |
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-Related structure data
Related structure data | |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: DNA chain | Mass: 2427.605 Da / Num. of mol.: 1 / Source method: obtained synthetically | ||
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#2: Protein/peptide | Type: Cyclic depsipeptide / Class: AnticancerAnticarcinogen / Mass: 794.982 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: TRIOSTIN IS A BICYCLIC OCTADEPSIPEPTIDE. BICYCLIZATION IS ACHIEVED BY LINKING THE N- AND THE C- TERMINI, AND A DISULPHIDE BOND BETWEEN RESIDUES 3 AND 7. THE TWO QUINOXALINE CHROMOPHORES ARE ...Details: TRIOSTIN IS A BICYCLIC OCTADEPSIPEPTIDE. BICYCLIZATION IS ACHIEVED BY LINKING THE N- AND THE C- TERMINI, AND A DISULPHIDE BOND BETWEEN RESIDUES 3 AND 7. THE TWO QUINOXALINE CHROMOPHORES ARE LINKED TO THE D-SERINE RESIDUES, RESIDUES 1 AND 5. Source: (natural) STREPTOMYCINEAE (bacteria) / References: NOR: NOR01129, TRIOSTIN A | ||
#3: Chemical | Type: Cyclic depsipeptide / Class: AnticancerAnticarcinogen / Mass: 174.156 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C9H6N2O2 Details: TRIOSTIN IS A BICYCLIC OCTADEPSIPEPTIDE. BICYCLIZATION IS ACHIEVED BY LINKING THE N- AND THE C- TERMINI, AND A DISULPHIDE BOND BETWEEN RESIDUES 3 AND 7. THE TWO QUINOXALINE CHROMOPHORES ARE ...Details: TRIOSTIN IS A BICYCLIC OCTADEPSIPEPTIDE. BICYCLIZATION IS ACHIEVED BY LINKING THE N- AND THE C- TERMINI, AND A DISULPHIDE BOND BETWEEN RESIDUES 3 AND 7. THE TWO QUINOXALINE CHROMOPHORES ARE LINKED TO THE D-SERINE RESIDUES, RESIDUES 1 AND 5. References: TRIOSTIN A Compound details | TRIOSTIN IS A BICYCLIC OCTADEPSIPEPTIDE, A MEMBER OF THE QUINOXALINE CLASS OF ANTIBIOTICS. HERE, ...TRIOSTIN IS A BICYCLIC OCTADEPSIP | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 3.84 Å3/Da / Density % sol: 67.94 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 4.5 / Details: PH 4.50, VAPOR DIFFUSION | ||||||||||||||||||||||||||||||||||||
Components of the solutions |
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-Data collection
Diffraction | Mean temperature: 285 K |
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Detector | Type: NICOLET P3 / Detector: DIFFRACTOMETER |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Highest resolution: 2 Å / Num. obs: 1130 / Observed criterion σ(I): 1.5 |
-Processing
Software | Name: NUCLSQ / Classification: refinement | ||||||||||||
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Refinement | Resolution: 2→10 Å /
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Refine Biso | Class: ALL ATOMS / Details: TR / Treatment: isotropic | ||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→10 Å
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